SCHEMBL3085533

SCHEMBL3085533

COc1ccc(Cn2cnc3cc(Br)ccc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.55
HDAC6 Q9UBN7 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
ROCK2 O75116 3/20 0.50
ROCK1 Q13464 3/20 0.50
MAPT P10636 2/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PDE5A O76074 1/20 0.47
GRK2 P25098 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29147374 0.90 MMP13 (0.64) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL24617406 0.87 ROCK2 (0.62) MMP13ROCK2ROCK1MAPTTSHR
SCHEMBL29778896 0.87 ROCK2 (0.62) MMP13ROCK2ROCK1MAPTTSHR
SCHEMBL4873671 0.84 MAPT (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1500346 0.83 GRK2 (0.60) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL23123295 0.82 QPCT (0.58) MAPTTSHRKDM4ENPC1RAB9A
SCHEMBL3093121 0.81 MEN1 (0.49) MMP13HDAC6HDAC1HDAC2ROCK2
SCHEMBL3087107 0.81 SCD (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL25685658 0.80 MMP13 (0.53) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL29433505 0.80 QPCT (0.58) MMP13MAPTTSHRKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251333-A1 Biphenyl derivatives as P-38 kinase inhibitors Novartis AG (CH) 2010-11-17 EP disclosed
EP-1990338-B1 Biphenylcyclopropylamides as p-38 Kinase inhibitors NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
EP-1990338-A2 Biphenylcyclopropylamides as p-38 Kinase inhibitors Novartis AG (CH) 2008-11-12 EP disclosed
EP-1687284-B1 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2008-10-29 EP disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
EP-1687284-A2 p-38 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005012241-A2 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-10 WO disclosed
US-20050020590-A1 P-38 kinase inhibitors NOVARTIS AG (CH) 2005-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070111999-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 MMP13 1332/4885HDAC6 197/4885HDAC3 864/4885
US-20050020590-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 MMP13 1657/4885HDAC6 201/4885HDAC3 973/4885
US-20100234404-A1 P-38 Kinase Inhibitors MAPK8, MAP3K8, MAPK1 MMP13 1332/4885HDAC6 197/4885HDAC3 864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.